(6R)-4,10-dibromo-3-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,8-diene

C15H21Br2Cl — CID 100988688

IUPAC(6R)-4,10-dibromo-3-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,8-diene
SMILESCC1=CC[C@@]2(CC1Br)C(C)=CC(Cl)C(Br)C2(C)C
InChIInChI=1S/C15H21Br2Cl/c1-9-5-6-15(8-11(9)16)10(2)7-12(18)13(17)14(15,3)4/h5,7,11-13H,6,8H2,1-4H3/t11?,12?,13?,15-/m1/s1
InChIKeyIHPUKUHHUSSHPM-CDKPOMLUSA-N
MW396.59 g/mol
LogP5.83
Rot. Bonds

About (6R)-4,10-dibromo-3-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,8-diene

(6R)-4,10-dibromo-3-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,8-diene (PubChem CID 100988688) has the molecular formula C15H21Br2Cl and a molecular weight of 396.59 g/mol. Its IUPAC name is (6R)-4,10-dibromo-3-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,8-diene.

Molecular Properties

Compound Name(6R)-4,10-dibromo-3-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,8-diene
PubChem CID100988688
Molecular FormulaC15H21Br2Cl
Molecular Weight396.59 g/mol
Exact Mass393.97
IUPAC Name(6R)-4,10-dibromo-3-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,8-diene
SMILESCC1=CC[C@@]2(CC1Br)C(C)=CC(Cl)C(Br)C2(C)C
InChIInChI=1S/C15H21Br2Cl/c1-9-5-6-15(8-11(9)16)10(2)7-12(18)13(17)14(15,3)4/h5,7,11-13H,6,8H2,1-4H3/t11?,12?,13?,15-/m1/s1
InChIKeyIHPUKUHHUSSHPM-CDKPOMLUSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.59
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-4,10-dibromo-3-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,8-diene?
The IUPAC name of (6R)-4,10-dibromo-3-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,8-diene (CID 100988688) is (6R)-4,10-dibromo-3-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,8-diene.
What is the SMILES notation for (6R)-4,10-dibromo-3-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,8-diene?
The canonical SMILES for (6R)-4,10-dibromo-3-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,8-diene is CC1=CC[C@@]2(CC1Br)C(C)=CC(Cl)C(Br)C2(C)C.
What is the InChIKey of (6R)-4,10-dibromo-3-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,8-diene?
The InChIKey is IHPUKUHHUSSHPM-CDKPOMLUSA-N. The full InChI is InChI=1S/C15H21Br2Cl/c1-9-5-6-15(8-11(9)16)10(2)7-12(18)13(17)14(15,3)4/h5,7,11-13H,6,8H2,1-4H3/t11?,12?,13?,15-/m1/s1.
What are the key properties of (6R)-4,10-dibromo-3-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,8-diene?
(6R)-4,10-dibromo-3-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,8-diene has a molecular weight of 396.59 g/mol, XLogP of 5.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4,10-dibromo-3-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,8-diene is sourced from PubChem (CID 100988688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).